1
% molecule specification
6
C [ 0.0000 1.0094 0.0000 ]
7
C [ 0.0000 -1.0094 0.0000 ]
8
H [ 0.9174 1.6662 0.0000 ]
9
H [ -0.9174 -1.6662 0.0000 ]
10
H [ 0.9174 -1.6662 0.0000 ]
11
H [ -0.9174 1.6662 0.0000 ]
14
% basis set specification
15
basis<GaussianBasisSet>: (
24
% method for computing the molecule's energy